N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C21H18N4O2S — CID 121050710

IUPACN-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc4sc(C)nc4c3)n2)cc1
InChIInChI=1S/C21H18N4O2S/c1-13-3-5-15(6-4-13)17-8-10-21(27)25(24-17)12-20(26)23-16-7-9-19-18(11-16)22-14(2)28-19/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyDPJOBZCCHAHKHB-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.78
Rot. Bonds4

About N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121050710) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121050710
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc4sc(C)nc4c3)n2)cc1
InChIInChI=1S/C21H18N4O2S/c1-13-3-5-15(6-4-13)17-8-10-21(27)25(24-17)12-20(26)23-16-7-9-19-18(11-16)22-14(2)28-19/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyDPJOBZCCHAHKHB-UHFFFAOYSA-N
XLogP3.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
CID 121050569
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 121051625
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 7663227
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
N-(4-bromo-3-methylphenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051100
N-(4-bromo-3-methylphenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051666
N-[3-(4-methylphenoxy)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 170265302
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 652437

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 121050710) is N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc4sc(C)nc4c3)n2)cc1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is DPJOBZCCHAHKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-13-3-5-15(6-4-13)17-8-10-21(27)25(24-17)12-20(26)23-16-7-9-19-18(11-16)22-14(2)28-19/h3-11H,12H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 390.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121050710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).